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首页> 外文期刊>Physical review >Phonon partial densities of states and entropies of Fe and Cr in bcc Fe-Cr from inelastic neutron scattering
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Phonon partial densities of states and entropies of Fe and Cr in bcc Fe-Cr from inelastic neutron scattering

机译：非弹性中子散射中密件抄送Fe-Cr中Fe和Cr的状态和熵的声子部分密度

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摘要

Inelastic neutron-scattering spectra were measured on disordered solid solutions of body-centered cubic Fe-Cr alloys of different compositions. These data were reduced from time-of-flight histograms to energy spectra that resemble the phonon density of states (DOS) but were distorted by differences in efficiencies of the atom species for phonon scattering. Cluster expansion formalisms were developed to both correct this neutron-weighting problem and isolate phonon partial DOS curves of Fe and Cr atoms. An asymmetry in the phonon entropy of mixing was identified and attributed to the larger number of low-energy modes associated with like and unlike pairs in the first and second nearest-neighbor shells of Cr atoms compared to Fe atoms. The effect of the phonon entropy on chemical unmixing is found to both lower the critical temperature and shift the critical composition substantially.
机译：非弹性中子散射光谱是在不同组成的体心立方Fe-Cr合金的无序固溶体上测量的。这些数据从飞行时间直方图减少到类似于声子态密度（DOS）的能谱，但由于声子散射的原子种类效率差异而扭曲。发展了团簇膨胀形式主义，以纠正这一中子加权问题并分离出Fe和Cr原子的声子部分DOS曲线。确定了混合声子熵的不对称性，并归因于与Fe原子相比，在Cr原子的第一和第二近邻壳中与相似对和不相似对成对的大量低能模式。发现声子熵对化学分解的影响既降低了临界温度又使临界组成发生了实质性的变化。

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